SCHEMBL1478065

SCHEMBL1478065

OCCc1ccc(Oc2ccc(Br)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.42
▸ OPRD1 P41143 9/20 0.42
▸ OPRK1 P41145 7/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ACACB O00763 6/20 0.41
▸ ACACA Q13085 4/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25354847 0.87 LTA4H (0.46) OPRM1OPRD1OPRK1TSHRACACB
SCHEMBL25355807 0.82 THRB (0.42) OPRM1OPRD1OPRK1TSHRACACB
SCHEMBL7810519 0.81 KDM4E (0.59) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL9889505 0.81 KDM4E (0.51) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL31579716 0.81 KDM4E (0.53) OPRM1OPRD1OPRK1TSHRACACB
SCHEMBL5943019 0.81 RAB9A (0.44) ACACBTHRBKDM4ENPC1RAB9A
SCHEMBL8688804 0.78 MEN1 (0.46) THRBKDM4ENPC1RAB9A
SCHEMBL5942883 0.78 OPRM1 (0.47) OPRM1OPRD1OPRK1ACACBACACA
SCHEMBL876080 0.78 LIPE (0.57) THRBRAB9A
SCHEMBL13508844 0.78 ACACB (0.47) OPRM1OPRD1OPRK1ACACBACACA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 — — US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 — — EP disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 — — US disclosed
EP-1701942-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2006-09-20 — — EP disclosed
WO-2005066131-A1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A OPRM1 286/4885OPRD1 327/4885OPRK1 1089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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